SCHEMBL18934031

SCHEMBL18934031

C1=C(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)NC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAC2 P15153 1/20 0.30
▸ RAC3 P60763 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ RAC1 P63000 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15582938 0.94 KDM4E (0.41) HDAC4KDM4EATML3MBTL1
SCHEMBL22842171 0.92 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1
SCHEMBL17691079 0.92 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1
SCHEMBL15137520 0.92 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1
SCHEMBL15615495 0.88 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL16856506 0.87 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL25930262 0.85 KDM4E (0.40) HDAC4KDM4EATML3MBTL1
SCHEMBL27327549 0.85 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL19570137 0.84 KDM4E (0.34) HDAC4KDM4EATML3MBTL1RAC2
SCHEMBL18561426 0.84 HDAC4 (0.35) HDAC4KDM4EATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017099360-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-15 — — WO disclosed
WO-2017095156-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-08 — — WO disclosed
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